4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide

C16H19NO4S — CID 122212592

IUPAC4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NOC(C)C)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-12(2)21-17-22(18,19)16-10-6-14(7-11-16)13-4-8-15(20-3)9-5-13/h4-12,17H,1-3H3
InChIKeyZAFHALBUXNRKNV-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.98
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide

4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide (PubChem CID 122212592) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
PubChem CID122212592
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NOC(C)C)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-12(2)21-17-22(18,19)16-10-6-14(7-11-16)13-4-8-15(20-3)9-5-13/h4-12,17H,1-3H3
InChIKeyZAFHALBUXNRKNV-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-propan-2-yloxybenzenesulfonamide
CID 59272998
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
CID 6540261
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64644955
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide (CID 122212592) is 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NOC(C)C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide?
The InChIKey is ZAFHALBUXNRKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12(2)21-17-22(18,19)16-10-6-14(7-11-16)13-4-8-15(20-3)9-5-13/h4-12,17H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide?
4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 122212592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).